2-N-(cyclobutylmethyl)-2-ethyl-2-N-methylbutane-1,2-diamine

C12H26N2 — CID 62860217

IUPAC2-N-(cyclobutylmethyl)-2-ethyl-2-N-methylbutane-1,2-diamine
SMILESCCC(CC)(CN)N(C)CC1CCC1
InChIInChI=1S/C12H26N2/c1-4-12(5-2,10-13)14(3)9-11-7-6-8-11/h11H,4-10,13H2,1-3H3
InChIKeyYEMZEWGCYRRAFL-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.24
Rot. Bonds6

About 2-N-(cyclobutylmethyl)-2-ethyl-2-N-methylbutane-1,2-diamine

2-N-(cyclobutylmethyl)-2-ethyl-2-N-methylbutane-1,2-diamine (PubChem CID 62860217) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 2-N-(cyclobutylmethyl)-2-ethyl-2-N-methylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(cyclobutylmethyl)-2-ethyl-2-N-methylbutane-1,2-diamine
PubChem CID62860217
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name2-N-(cyclobutylmethyl)-2-ethyl-2-N-methylbutane-1,2-diamine
SMILESCCC(CC)(CN)N(C)CC1CCC1
InChIInChI=1S/C12H26N2/c1-4-12(5-2,10-13)14(3)9-11-7-6-8-11/h11H,4-10,13H2,1-3H3
InChIKeyYEMZEWGCYRRAFL-UHFFFAOYSA-N
XLogP2.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(cyclohexylmethyl)-2-N-methyl-2-propylpentane-1,2-diamine
CID 63472711
2-N-(cyclobutylmethyl)-2-N,2-diethylbutane-1,2-diamine
CID 65459394
2-N-(cyclopropylmethyl)-2-ethyl-2-N-methylhexane-1,2-diamine
CID 63947157
2-N-(cyclobutylmethyl)-2-N,2-dimethylpropane-1,2-diamine
CID 62860403
2-N-(cyclopentylmethyl)-2-N,2-dimethylbutane-1,2-diamine
CID 62009371
2-N-[(3,3-difluorocyclopentyl)methyl]-2-ethyl-2-N-methylbutane-1,2-diamine
CID 114223672
2-ethyl-2-N,4-dimethyl-2-N-[(1-methylpiperidin-4-yl)methyl]hexane-1,2-diamine
CID 63232980
2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-2-propylpentane-1,2-diamine
CID 63232902
2-N-(cyclobutylmethyl)-4-methoxy-2-N,2-dimethylbutane-1,2-diamine
CID 62861289
1-(cyclobutylmethyl)-1-methylurea
CID 62860439
1-N-(cyclobutylmethyl)-2-ethyl-1-N-methylbutane-1,2-diamine
CID 79813469
2-N-(cyclopentylmethyl)-3,3-dimethoxy-2-N,2-dimethylpropane-1,2-diamine
CID 66179062

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclobutylmethyl)-2-ethyl-2-N-methylbutane-1,2-diamine?
The IUPAC name of 2-N-(cyclobutylmethyl)-2-ethyl-2-N-methylbutane-1,2-diamine (CID 62860217) is 2-N-(cyclobutylmethyl)-2-ethyl-2-N-methylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(cyclobutylmethyl)-2-ethyl-2-N-methylbutane-1,2-diamine?
The canonical SMILES for 2-N-(cyclobutylmethyl)-2-ethyl-2-N-methylbutane-1,2-diamine is CCC(CC)(CN)N(C)CC1CCC1.
What is the InChIKey of 2-N-(cyclobutylmethyl)-2-ethyl-2-N-methylbutane-1,2-diamine?
The InChIKey is YEMZEWGCYRRAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-4-12(5-2,10-13)14(3)9-11-7-6-8-11/h11H,4-10,13H2,1-3H3.
What are the key properties of 2-N-(cyclobutylmethyl)-2-ethyl-2-N-methylbutane-1,2-diamine?
2-N-(cyclobutylmethyl)-2-ethyl-2-N-methylbutane-1,2-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclobutylmethyl)-2-ethyl-2-N-methylbutane-1,2-diamine is sourced from PubChem (CID 62860217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).